SCHEMBL6132537

SCHEMBL6132537

CCOC(=O)c1ccc(-c2cnc3sc(-c4ccc(OCCCCOC)cc4)nn23)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.52
MKNK2 Q9HBH9 10/20 0.52
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HIF1A Q16665 1/20 0.44
TBXAS1 P24557 1/20 0.44
FYN P06241 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7318292 0.90 MKNK1 (0.61) MKNK1MKNK2FYNHPGDHTT
SCHEMBL7321701 0.90 MKNK1 (0.61) MKNK1MKNK2FYNHPGDHTT
SCHEMBL7324198 0.90 MKNK1 (0.61) MKNK1MKNK2FYNHPGDHTT
SCHEMBL7324612 0.90 MKNK1 (0.61) MKNK1MKNK2FYNHPGDHTT
SCHEMBL6132847 0.88 MKNK1 (0.51) MKNK1MKNK2TSHR
SCHEMBL7350299 0.86 HRH3 (0.65) MKNK1MKNK2KCNH2HRH3ALDH1A1
SCHEMBL7326365 0.86 HRH3 (0.64) MKNK1MKNK2KCNH2HRH3ALDH1A1
SCHEMBL7312737 0.86 HRH3 (0.64) MKNK1MKNK2KCNH2HRH3ALDH1A1
SCHEMBL7324143 0.85 HRH3 (0.53) MKNK1MKNK2KCNH2HRH3TBXAS1
SCHEMBL7317643 0.84 MKNK1 (0.55) MKNK1MKNK2FYNIDO1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed